SCHEMBL3720649

SCHEMBL3720649

CCC(C)Oc1ccc(Oc2ccc3cc(CCN)ccc3n2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CARM1 Q86X55 3/20 0.33
PRMT6 Q96LA8 3/20 0.33
ACACB O00763 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
SLC2A1 P11166 1/20 0.32
TAAR5 O14804 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3720741 0.91 FFAR4 (0.36) GLASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL3719226 0.86 GPBAR1 (0.35) GPBAR1CYSLTR1CARM1PRMT6ACACB
SCHEMBL3721521 0.85 MTNR1A (0.48) SMN1; SMN2ACACB
SCHEMBL3720725 0.84 ACACB (0.38) GLASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL3720743 0.84 CYP1A2 (0.35) GLASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL3720646 0.83 GLA (0.43) GLASMN1; SMN2
SCHEMBL3720648 0.81 MAPT (0.36) GPBAR1CYSLTR1TSHRSLC2A1MCHR1
SCHEMBL3717668 0.81 CYP1A2 (0.37) GLASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL3719835 0.80 FFAR4 (0.36) GLASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL3719225 0.80 PDE4B (0.46) GPBAR1CYSLTR1SMN1; SMN2TSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed